1H-Indole, 1,2,3-trimethyl-
Basic information
- CAS
1971-46-6- Standard SMILES
Cc1c(C)n(C)c2ccccc12- InChIKey
NRRVOLSTQHJDEG-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 1H-Indole, 1,2,3-trimethyl-
- IUPAC
- 1,2,3-trimethylindole
- English name
- 1,2,3-Trimethyl-1H-indole
- Molecular formula
- C11H13N
- Molecular weight
- 159.23
Names & synonyms
1,2,3-Trimethyl-1H-indole1,2,3-Trimethylindole1H-INDOLE, 1,2,3-TRIMETHYL-Indole, 1,2,3-trimethyl-P5Q55M3DFBUNII-P5Q55M3DFBDTXSID50173374RefChem:79870DTXCID2095865NRRVOLSTQHJDEG-UHFFFAOYSA-N1971-46-6SCHEMBL483003
Show more names
SCHEMBL1419052SCHEMBL3483251SCHEMBL3972584SCHEMBL21831539SCHEMBL311324081,2,3-Trimethyl-1H-indole #F96598Q63398112
Database identifiers
- CAS
1971-46-6- PubChem CID
- 74788
- DTXSID
DTXSID50173374- UNII
- P5Q55M3DFB
- Nikkaji
- J46.567D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 18 °C · 18°C
- Boiling point
- 304.74 °C · 304.74°C (estimate)
- Density
- 0.9567 · 0.9567 (estimate)
- refractive index
- 1.611 · 1.6110 (estimate)
- FDA UNII
- 5 Q55M3DFB · P5Q55M3DFB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…